General Information of the Compound
| Compound ID |
CP0398276
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| Compound Name |
3-(4-methoxy-2-nitroanilino)-2,2-dimethyl-3H-benzo[g][1]benzofuran-4,5-dione
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| Structure |
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| Formula |
C21H18N2O6
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| Molecular Weight |
394.383
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| Canonical SMILES |
COc1ccc(NC2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H18N2O6/c1-21(2)20(22-14-9-8-11(28-3)10-15(14)23(26)27)16-18(25)17(24)12-6-4-5-7-13(12)19(16)29-21/h4-10,20,22H,1-3H3
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| InChIKey |
BREQNUBZQXSUPD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound